N-(2-azanylcyclohexyl)-3-benzamido-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-benzamido-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(2-fluorophenyl)piperazino]methyl]benzamide Formula: C31H36FN5O2 MolecularWeight: 529.648243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4F)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4F)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H36FN5O2/c32-25-10-4-7-13-29(25)37-18-16-36(17-19-37)21-24-15-14-23(31(39)34-27-12-6-5-11-26(27)33)20-28(24)35-30(38)22-8-2-1-3-9-22/h1-4,7-10,13-15,20,26-27H,5-6,11-12,16-19,21,33H2,(H,34,39)(H,35,38)